2,4,6-trichloro-N-[1-(3,4-dichlorophenyl)ethylideneamino]aniline

C14H9Cl5N2 — CID 3972659

IUPAC2,4,6-trichloro-N-[1-(3,4-dichlorophenyl)ethylideneamino]aniline
SMILESCC(=NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H9Cl5N2/c1-7(8-2-3-10(16)11(17)4-8)20-21-14-12(18)5-9(15)6-13(14)19/h2-6,21H,1H3
InChIKeyOVFUMGCOMRELDV-UHFFFAOYSA-N
MW382.51 g/mol
LogP6.79
Rot. Bonds3

About 2,4,6-trichloro-N-[1-(3,4-dichlorophenyl)ethylideneamino]aniline

2,4,6-trichloro-N-[1-(3,4-dichlorophenyl)ethylideneamino]aniline (PubChem CID 3972659) has the molecular formula C14H9Cl5N2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2,4,6-trichloro-N-[1-(3,4-dichlorophenyl)ethylideneamino]aniline.

Molecular Properties

Compound Name2,4,6-trichloro-N-[1-(3,4-dichlorophenyl)ethylideneamino]aniline
PubChem CID3972659
Molecular FormulaC14H9Cl5N2
Molecular Weight382.51 g/mol
Exact Mass379.92
IUPAC Name2,4,6-trichloro-N-[1-(3,4-dichlorophenyl)ethylideneamino]aniline
SMILESCC(=NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H9Cl5N2/c1-7(8-2-3-10(16)11(17)4-8)20-21-14-12(18)5-9(15)6-13(14)19/h2-6,21H,1H3
InChIKeyOVFUMGCOMRELDV-UHFFFAOYSA-N
XLogP6.79
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-[1-(3,4-dichlorophenyl)ethylideneamino]aniline?
The IUPAC name of 2,4,6-trichloro-N-[1-(3,4-dichlorophenyl)ethylideneamino]aniline (CID 3972659) is 2,4,6-trichloro-N-[1-(3,4-dichlorophenyl)ethylideneamino]aniline.
What is the SMILES notation for 2,4,6-trichloro-N-[1-(3,4-dichlorophenyl)ethylideneamino]aniline?
The canonical SMILES for 2,4,6-trichloro-N-[1-(3,4-dichlorophenyl)ethylideneamino]aniline is CC(=NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2,4,6-trichloro-N-[1-(3,4-dichlorophenyl)ethylideneamino]aniline?
The InChIKey is OVFUMGCOMRELDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl5N2/c1-7(8-2-3-10(16)11(17)4-8)20-21-14-12(18)5-9(15)6-13(14)19/h2-6,21H,1H3.
What are the key properties of 2,4,6-trichloro-N-[1-(3,4-dichlorophenyl)ethylideneamino]aniline?
2,4,6-trichloro-N-[1-(3,4-dichlorophenyl)ethylideneamino]aniline has a molecular weight of 382.51 g/mol, XLogP of 6.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-[1-(3,4-dichlorophenyl)ethylideneamino]aniline is sourced from PubChem (CID 3972659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).